(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone

C13H8Br2O2S — CID 80532830

IUPAC(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)C1Cc2ccccc2O1
InChIInChI=1S/C13H8Br2O2S/c14-8-6-11(18-13(8)15)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-4,6,10H,5H2
InChIKeyXBEJTPKMEHJUBF-UHFFFAOYSA-N
MW388.08 g/mol
LogP4.46
Rot. Bonds2

About (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone

(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone (PubChem CID 80532830) has the molecular formula C13H8Br2O2S and a molecular weight of 388.08 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone
PubChem CID80532830
Molecular FormulaC13H8Br2O2S
Molecular Weight388.08 g/mol
Exact Mass385.86
IUPAC Name(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)C1Cc2ccccc2O1
InChIInChI=1S/C13H8Br2O2S/c14-8-6-11(18-13(8)15)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-4,6,10H,5H2
InChIKeyXBEJTPKMEHJUBF-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.08
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone (CID 80532830) is (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone is O=C(c1cc(Br)c(Br)s1)C1Cc2ccccc2O1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone?
The InChIKey is XBEJTPKMEHJUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Br2O2S/c14-8-6-11(18-13(8)15)12(16)10-5-7-3-1-2-4-9(7)17-10/h1-4,6,10H,5H2.
What are the key properties of (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone?
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone has a molecular weight of 388.08 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 80532830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).